subject:"\[gmx\-users\] Problem in g_enemat in Gromacs 4.5.5"

Re: [gmx-users] Problem in g_enemat in Gromacs 4.5.5

2013-07-07 Thread Mark Abraham

And please replicate it with a more recent 4.5.x or 4.6.x first! Mark On Sun, Jul 7, 2013 at 3:17 AM, Justin Lemkul jalem...@vt.edu wrote: On 7/6/13 8:21 AM, rama david wrote: Hi Friends, I am working on peptide self assembly. I simulated two peptide which are random coil and apart

[gmx-users] Problem in g_enemat in Gromacs 4.5.5

2013-07-06 Thread rama david

Hi Friends, I am working on peptide self assembly. I simulated two peptide which are random coil and apart from each other. As the time process they start to interact and form antiparallel beta sheet structure. My plan is to find the energy difference in random coil to beta shhet

Re: [gmx-users] Problem in g_enemat in Gromacs 4.5.5

2013-07-06 Thread Justin Lemkul

On 7/6/13 8:21 AM, rama david wrote: Hi Friends, I am working on peptide self assembly. I simulated two peptide which are random coil and apart from each other. As the time process they start to interact and form antiparallel beta sheet structure. My plan is to find the energy